2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-morpholinoethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(3,5-dinitrophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(3,5-dinitrobenzyl)-$b-carboline-3-carboxylic acid 2-morpholinoethyl ester Formula: C25H23N5O7 MolecularWeight: 505.47942

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3CC5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCOC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3CC5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O7/c31-25(37-10-7-27-5-8-36-9-6-27)22-14-21-20-3-1-2-4-23(20)28(24(21)15-26-22)16-17-11-18(29(32)33)13-19(12-17)30(34)35/h1-4,11-15H,5-10,16H2